[5-(1-adamantylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-ethyl-(phenylmethyl)azanium

Systemtic Name: [5-(1-adamantylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-ethyl-(phenylmethyl)azanium Openeye Name: [5-(1-adamantylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-benzyl-ethyl-ammonium CAS Name: [5-[(1-adamantylamino)-oxomethyl]-6-oxo-1H-pyridin-2-yl]methyl-ethyl-(phenylmethyl)ammonium IUPAC Name: [5-(1-adamantylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-benzyl-ethylazanium Traditional Name: [5-(1-adamantylcarbamoyl)-6-keto-1H-pyridin-2-yl]methyl-benzyl-ethyl-ammonium Formula: C26H34N3O2+ MolecularWeight: 420.56706

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC2=CC=C(C(=O)N2)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC2=CC=C(C(=O)N2)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H33N3O2/c1-2-29(16-18-6-4-3-5-7-18)17-22-8-9-23(24(30)27-22)25(31)28-26-13-19-10-20(14-26)12-21(11-19)15-26/h3-9,19-21H,2,10-17H2,1H3,(H,27,30)(H,28,31)/p+1